UCSF

ZINC37267574

Substance Information

In ZINC since Heavy atoms Benign functionality
November 23rd, 2009 13 Yes

Other Names:

MFCD14589751

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) -0.95 1.25 -88.99 5 4 2 61 187.287 2
Mid Mid (pH 6-8) -0.95 0.91 -40.57 4 4 1 60 186.279 2

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )